4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C10H13NO — CID 139898282

IUPAC4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILES[H]/N=C1\C=C(C)C(=O)CC1C(=C)C
InChIInChI=1S/C10H13NO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4,8,11H,1,5H2,2-3H3/b11-9+
InChIKeySCOKFIGPUUTRDA-PKNBQFBNSA-N
MW163.22 g/mol
LogP2.12
Rot. Bonds1

About 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 139898282) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID139898282
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILES[H]/N=C1\C=C(C)C(=O)CC1C(=C)C
InChIInChI=1S/C10H13NO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4,8,11H,1,5H2,2-3H3/b11-9+
InChIKeySCOKFIGPUUTRDA-PKNBQFBNSA-N
XLogP2.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Acetyl)-1,4-benzoquinonimine
CID 129650809
3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
Diethylbenzoquinonimine
CID 129850744
5-Methyl-3-(2,2,2-trifluoroethanimidoyl)cyclopent-2-en-1-one
CID 139425202
6-Diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 102189710
2,6-Diisopropyl-4-iminocyclohexa-2,5-dien-1-one
CID 129747366
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
Ethylmethylbenzoquinoneimine
CID 166174992
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
2,6-Di-tert-butyl-4-iminocyclohexa-2,5-dien-1-one
CID 12561859
4,5-Diimino-3-methylcyclohex-2-en-1-one
CID 56990817
4-Iminobicyclo[4.2.0]oct-5-en-7-one
CID 57029178

Frequently Asked Questions

What is the IUPAC name of 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 139898282) is 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is [H]/N=C1\C=C(C)C(=O)CC1C(=C)C.
What is the InChIKey of 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is SCOKFIGPUUTRDA-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13NO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4,8,11H,1,5H2,2-3H3/b11-9+.
What are the key properties of 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 139898282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).